BDBM12357 3-(1H-imidazol-4-yl)pyridine::CHEMBL178516::JMC514968 Compound 7::US8609708, 14::US8609708,14::nicotine 3-heteroaromatic analogue 10

SMILES c1nc(c[nH]1)-c1cccnc1

InChI Key InChIKey=YFOKBFRTGLSZLU-UHFFFAOYSA-N

Data  3 KI  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 12357   

TargetIndoleamine 2,3-dioxygenase 1(Human)
Bryn Mawr College

LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataAssay Description:The IC50 inhibition assays were performed in a 96-well microtiter plate format using purified recombinant IDO, which was added to the substrate, L-tr...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/29/2008
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 1.51E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 1.51E+3nMAssay Description:The inhibition of human CYP2A6-mediated 7-hydroxy coumarin formation was evaluated in the presence of 95 selected test compounds in a standard assay ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 1.40E+5nMAssay Description:To gain insight into the selectivity of the synthetic compounds, nicotine, nicotine related alkaloids and nicotine metabolites for inhibition of othe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/16/2014
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 8.00E+5nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2B6(Human)
TBA

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 1.03E+5nMpH: 7.5Assay Description:To gain insight into the selectivity of the synthetic compounds for inhibition of other CYPs, we examined the major CYPs present in human liver. Prio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/11/2015
Entry Details
Go to US Patent

TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 1.50E+3nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2B6(Human)
TBA

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 1.03E+5nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2B6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 5.35E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 1.40E+5nMAssay Description:Inhibitory concentration value against human cytochrome P-450 3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 9.80E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 4.18E+4nMAssay Description:Inhibitory concentration against human cytochrome P-450 2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2E1(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataIC50: 2.55E+4nMAssay Description:Inhibitory concentration value against human cytochrome P-450 2E1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataKi:  250nMAssay Description:Effect on coumarin 7-hydroxylation by human Cytochrome P-450 2A6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataKi:  800nMAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Human Biomolecular Research Institute

US Patent
LigandPNGBDBM12357(CHEMBL178516 | US8609708, 14 | 3-(1H-imidazol-4-yl...)
Affinity DataKi:  7.00E+4nMAssay Description:To measure CYP2A6 activity, coumarin 7-hydroxylation was determined. The formation of the coumarin metabolite, 7-hydroxycoumarin, was determined fluo...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/5/2006
Entry Details Article
PubMed